| SpectraBase Spectrum ID |
3pm7vOrQPzV |
| Name |
Chlormidazole |
| CAS Registry Number |
3689-76-7 |
| Collision Energy |
5 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
256.076726127 u |
| Formula |
C15H13ClN2 |
| InChI |
InChI=1S/C15H13ClN2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3 |
| InChIKey |
WNAQOLSMVPFGTE-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
256.736 g/mol |
| Nominal Mass |
256 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
257.084 |
| SMILES |
C1(Cl)=CC=C(CN2C=3C(N=C2C)=CC=CC3)C=C1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
1-[(4-chlorophenyl)methyl]-2-methylbenzimidazole |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_195.9 |
